Mercurial > repos > recetox > matchms_formatter
annotate test-data/subsetting/subsetting_output.msp @ 31:a5a5b147da70 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 129488bfd91735fc55fe32edb1079c24eee7b2d3
author | recetox |
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date | Thu, 14 Nov 2024 15:08:43 +0000 |
parents | 34439ffa6a60 |
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34439ffa6a60
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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1 NAME: C001 |
15
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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2 IONMODE: Negative |
23
34439ffa6a60
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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3 RETENTIONTIME: 38.74 |
34439ffa6a60
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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4 RETENTIONINDEX: -1 |
15
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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changeset
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5 SPECTRUMTYPE: Centroid |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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6 NUM PEAKS: 57 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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7 138.9121 10186226.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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8 148.9337 1008656.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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9 175.0641 26780143.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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10 186.1095 2675456.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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11 196.8658 21390430.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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12 198.8647 21688594.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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13 200.8848 7742528.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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14 206.9034 26130980.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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15 216.9205 32607700.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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16 234.0134 2550129.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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17 254.8252 23747536.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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18 256.8215 31377637.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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19 258.8237 15532799.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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20 266.8652 9805546.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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21 268.8537 3090354.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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22 306.9914 3169316.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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23 312.7841 10051801.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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24 316.7777 10734168.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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changeset
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25 322.8157 6317648.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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26 324.9549 8619910.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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27 334.849 4178412.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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28 342.8093 3285552.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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29 349.9455 2050695.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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30 350.9875 6150799.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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31 351.941 1965882.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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32 366.8281 3253770.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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33 370.7418 9765463.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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34 372.7383 19374863.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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35 382.8218 12815572.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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36 384.8177 8311500.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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37 392.7685 10913351.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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38 413.2664 3965867.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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39 426.7772 5431633.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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40 428.7834 8554675.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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41 434.7287 9943329.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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42 436.8161 3705247.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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43 440.7322 10603010.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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44 442.7401 8271752.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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45 450.7016 8762673.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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46 460.7076 4528973.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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47 462.7862 2123666.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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48 484.7242 4273989.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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49 486.7743 4886062.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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50 488.6825 12267966.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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51 492.744 7662344.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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52 494.8953 7188793.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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53 498.8794 6811405.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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54 500.8484 6520691.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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55 502.7832 3567833.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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56 510.763 4989757.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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57 518.7415 4243468.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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58 546.6093 7177067.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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59 550.6949 6104789.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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60 566.5977 5171811.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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61 612.6927 2005587.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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62 676.6436 1982714.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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63 800.4451 2792137.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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64 |
23
34439ffa6a60
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
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65 NAME: C002 |
15
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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66 IONMODE: Negative |
23
34439ffa6a60
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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67 RETENTIONTIME: 520.25 |
34439ffa6a60
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
recetox
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15
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68 RETENTIONINDEX: 1234.5 |
15
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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changeset
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69 SPECTRUMTYPE: Centroid |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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70 NUM PEAKS: 35 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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71 131.1733 1971789.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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72 267.2688 6103973.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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73 279.0196 1946255.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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74 289.6491 46498377.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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75 301.1565 15185412.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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76 309.1649 18045974.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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77 310.1623 295359836.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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changeset
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78 311.1658 13124727.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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79 312.0296 38757284.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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80 330.6757 12666597.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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81 525.375 1073323842.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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82 526.3783 181668883.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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83 527.3812 23642795.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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84 551.3321 111616808.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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85 552.3348 28340614.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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86 553.3314 2609936.0 |
37da26e798f2
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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87 562.3269 7538206.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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88 578.2905 7578406.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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89 619.3008 4742103.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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90 624.296 11790213.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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91 813.5403 25060147.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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92 814.5336 5865975.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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93 955.1171 2322927.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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94 1047.7378 150394804.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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95 1048.7399 90978863.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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96 1049.7432 29946438.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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97 1050.7453 6807767.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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98 1069.7158 5074652.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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99 1074.1979 3402288.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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100 1075.1968 33352763.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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101 1076.2004 10417953.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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102 1101.6535 2023916.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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103 1206.3127 3738816.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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104 1216.8041 4439324.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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105 1217.807 3565334.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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106 |
23
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107 NAME: C004 |
15
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108 IONMODE: Negative |
23
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109 RETENTIONTIME: 473.48 |
15
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110 SPECTRUMTYPE: Centroid |
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111 NUM PEAKS: 24 |
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112 124.1405 6517662.0 |
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113 170.2437 1237313.0 |
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114 275.6336 28001849.0 |
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115 296.147 190395687.0 |
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116 482.3247 145772322.0 |
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117 483.3283 36245876.0 |
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118 496.34 12577588056.0 |
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119 497.3442 3337125302.0 |
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120 498.3462 532285213.0 |
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121 499.3493 68176083.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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122 770.964 49250157.0 |
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123 771.9675 22666873.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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124 783.9721 9839299.0 |
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125 784.9749 3622908.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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126 949.6233 8009033.0 |
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127 950.6274 3674694.0 |
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128 991.6726 1420557258.0 |
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129 992.6749 763118028.0 |
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130 993.6787 239161906.0 |
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131 994.6801 53549573.0 |
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132 1017.6897 168186952.0 |
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133 1018.6656 120599518.0 |
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134 1019.6555 57647644.0 |
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135 1020.6591 12469103.0 |
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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